Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50582062'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50582062 (CHEMBL5086435) Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6
					More data for this Ligand-Target Pair